Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM155950'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM155950 (US9018214, 1) Show SMILES C[C@@H]1CN(CC(=O)N2CCc3ccc(Br)cc23)CCN1 |r| Show InChI InChI=1S/C15H20BrN3O/c1-11-9-18(7-5-17-11)10-15(20)19-6-4-12-2-3-13(16)8-14(12)19/h2-3,8,11,17H,4-7,9-10H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00164 BindingDB Entry DOI: 10.7270/Q24X5CTC
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM155950 (US9018214, 1) Show SMILES C[C@@H]1CN(CC(=O)N2CCc3ccc(Br)cc23)CCN1 |r| Show InChI InChI=1S/C15H20BrN3O/c1-11-9-18(7-5-17-11)10-15(20)19-6-4-12-2-3-13(16)8-14(12)19/h2-3,8,11,17H,4-7,9-10H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	7.5	25
Astex Therapeutics Limited US Patent					Assay Description Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...				US Patent US9018214 (2015) BindingDB Entry DOI: 10.7270/Q23T9FXQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM155950 (US9018214, 1) Show SMILES C[C@@H]1CN(CC(=O)N2CCc3ccc(Br)cc23)CCN1 |r| Show InChI InChI=1S/C15H20BrN3O/c1-11-9-18(7-5-17-11)10-15(20)19-6-4-12-2-3-13(16)8-14(12)19/h2-3,8,11,17H,4-7,9-10H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at XIAP-BIR3 domain (unknown origin) assessed as inhibition of interaction with SMAC by fluorescence polarization assay				J Med Chem 58: 6574-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00706 BindingDB Entry DOI: 10.7270/Q2DR2X8F
					More data for this Ligand-Target Pair